Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.45 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.35 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.31 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL4782197 | 1.00 | HTR2C (0.45) | HTR2CDPP4HSD17B10SMN1; SMN2TNFRSF1A | |
| Fumaric Acid SCHEMBL4782201 | 1.00 | HTR2C (0.45) | HTR2CDPP4HSD17B10SMN1; SMN2TNFRSF1A | |
| SCHEMBL4678740 | 0.95 | HTR2C (0.49) | HTR2CDPP4HSD17B10SMN1; SMN2PDK1 | |
| SCHEMBL4678733 | 0.95 | HTR2C (0.49) | HTR2CDPP4HSD17B10SMN1; SMN2PDK1 | |
| Fumaric Acid SCHEMBL4678233 | 0.88 | HTR2C (0.58) | HTR2CHSD17B10SMN1; SMN2TNFRSF1AHPGD | |
| Fumaric Acid SCHEMBL4678243 | 0.88 | HTR2C (0.58) | HTR2CHSD17B10SMN1; SMN2TNFRSF1AHPGD | |
| Fumaric Acid SCHEMBL4678238 | 0.88 | HTR2C (0.58) | HTR2CHSD17B10SMN1; SMN2TNFRSF1AHPGD | |
| Fumaric Acid SCHEMBL4681558 | 0.86 | SMN1; SMN2 (0.39) | HTR2CHSD17B10SMN1; SMN2TNFRSF1APDK2 | |
| Fumaric Acid SCHEMBL4681556 | 0.86 | SMN1; SMN2 (0.39) | HTR2CHSD17B10SMN1; SMN2TNFRSF1APDK2 | |
| Fumaric Acid SCHEMBL4677768 | 0.85 | HTR2C (0.43) | HTR2CDPP4PDK1PDK2PDK3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1343775-B1 | PIPERAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-06-04 | — | — | EP | disclosed |
| US-7022707-B2 | Piperazine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2006-04-04 | — | — | US | disclosed |
| US-20040235859-A1 | Novel piperazine derivatives | ADAMS DAVID REGINALD (GB) | 2004-11-25 | — | — | US | disclosed |
| EP-1343775-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-17 | — | — | EP | disclosed |
| US-20020143020-A1 | Novel piperazine derivatives | VERNALIS RESEARCH LIMITED (GB) | 2002-10-03 | — | — | US | disclosed |
| WO-2002048124-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-20 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020143020-A1 | Novel piperazine derivatives | CYP4B1, UGT1A1, CYP1B1 | HTR2C 289/4885DPP4 327/4885MEN1 1694/4885 |
| US-20040235859-A1 | Novel piperazine derivatives | CYP4B1, UGT1A1, CYP1B1 | HTR2C 289/4885DPP4 327/4885MEN1 1694/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.